Update

app.py

@@ -232,7 +232,13 @@ def process_pdb(pdb_id_or_file, segment):
     sequence = "".join(seq1(res.resname) for res in protein_residues)
     sequence_id = [res.id[1] for res in protein_residues]
     
-    scores = np.random.rand(len(sequence))
+    input_ids = tokenizer(" ".join(sequence), return_tensors="pt").input_ids.to(device)
+    with torch.no_grad():
+        outputs = model(input_ids).logits.detach().cpu().numpy().squeeze()
+    
+    # Calculate scores and normalize them
+    scores = expit(outputs[:, 1] - outputs[:, 0])
+    
     normalized_scores = normalize_scores(scores)
     
     # Zip residues with scores to track the residue ID and score